6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine

C16H31N5 — CID 115565447

IUPAC6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCCCCCNc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C16H31N5/c1-5-6-7-8-9-10-11-18-15-13(4)16(21-17)20-14(19-15)12(2)3/h12H,5-11,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyRUYOYXNMBLMNLV-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.97
Rot. Bonds10

About 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 115565447) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID115565447
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCCCCCNc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C16H31N5/c1-5-6-7-8-9-10-11-18-15-13(4)16(21-17)20-14(19-15)12(2)3/h12H,5-11,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyRUYOYXNMBLMNLV-UHFFFAOYSA-N
XLogP3.97
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 107324334
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106847086
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006788
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 81006974

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine (CID 115565447) is 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine is CCCCCCCCNc1nc(C(C)C)nc(NN)c1C.
What is the InChIKey of 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RUYOYXNMBLMNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-6-7-8-9-10-11-18-15-13(4)16(21-17)20-14(19-15)12(2)3/h12H,5-11,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 3.97, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115565447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).